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(Q105003052)
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English
methyl (1S,6S,8S)-3,8,16-trimethyl-17-oxo-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene-12-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
360.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,2E,6S,8S,11E)-3,8,16-trimethyl-17-oxo-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene-12-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₈O₅
0 references
canonical SMILES
O=C(OC)C1=CCCC2(OC2CCC(=CC3OC(=O)C(=C3CC1)C)C)C
0 references
isomeric SMILES
COC(=O)C1=CCC[C@]2(C)O[C@H]2CCC(C)=C[C@@H]2OC(=O)C(C)=C2CC1
0 references
found in taxon
Sarcophyton ehrenbergi
1 reference
stated in
Cembranoids from the octocoral Sarcophyton ehrenbergi.
Identifiers
InChI
InChI=1S/C21H28O5/c1-13-7-10-18-21(3,26-18)11-5-6-15(20(23)24-4)8-9-16-14(2)19(22)25-17(16)12-13/h6,12,17-18H,5,7-11H2,1-4H3/t17-,18-,21-/m0/s1
0 references
InChIKey
FVZTYMRKRHXWEQ-WFXMLNOXSA-N
0 references
PubChem CID
162884105
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FVZTYMRKRHXWEQ-WFXMLNOXSA-N
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